Glycoside
GD108531
Name:
NoneFormula:
C20H22O5N5ClS2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)CCc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(CCc1ccc(Cl)cc1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 500.0 | Num_heavy_atoms: | 32 |
| TPSA: | 139.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD42509
Formula: C14H11O2N5ClS
Smiles:
O=S(=O)(CCc1ccc(Cl)cc1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.78 | Num_heavy_atoms: | 22 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
